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CAS No.: | 16523-31-2 |
---|---|
Name: | 4,6-Diaminoresorcinol dihydrochloride |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C6H8N2O2·2ClH |
Molecular Weight: | 213.064 |
Synonyms: | 1,3-Benzenediol,4,6-diamino-, dihydrochloride (9CI);Resorcinol, 4,6-diamino-, dihydrochloride(8CI);1,3-Diamino-4,6-dihydroxybenzene dihydrochloride;4,6-Diamino-1,3-benzenediol dihydrochloride;4,6-Diaminoresorcinol dihydrochloride;6-Dihydroxy-m-phenylenediamine dihydrochloride; |
Density: | 1.542g/cm3 |
Melting Point: | 254 °C (dec.)(lit.) |
Boiling Point: | 430.1 °C at 760 mmHg |
Flash Point: | 213.9 °C |
Solubility: | almost transparency |
Appearance: | grey-brown crystalline solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26 |
PSA: | 92.50000 |
LogP: | 3.02860 |
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The 4,6-Diaminoresorcinol dihydrochloride, with the CAS registry number 16523-31-2, is also known as 6-Dihydroxy-m-phenylenediamine dihydrochloride. It belongs to the product categories of Aromatic Phenols; Benzene derivates; API intermediates; Fluorenes, etc. (reagent for high-performance polymer research); Functional Materials; Reagent for High-Performance Polymer Research; Organic Building Blocks; Oxygen Compounds; Polyols. This chemical's molecular formula is C6H8N2O2·2ClH and molecular weight is 213.06. What's more, its systematic name is 4,6-Diamino-1,3-benzenediol dihydrochloride. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties of 4,6-Diaminoresorcinol dihydrochloride are: (1)ACD/LogP: -2.254; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.71; (4)ACD/LogD (pH 7.4): -2.28; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.33; (9)#H bond acceptors: 4; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 24.94 Å2; (13)Flash Point: 213.9 °C; (14)Enthalpy of Vaporization: 71.2 kJ/mol; (15)Boiling Point: 430.1 °C at 760 mmHg; (16)Vapour Pressure: 5.29E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.Oc1cc(O)c(N)cc1N
(2)Std. InChI: InChI=1S/C6H8N2O2.2ClH/c7-3-1-4(8)6(10)2-5(3)9;;/h1-2,9-10H,7-8H2;2*1H
(3)Std. InChIKey: KUMOYHHELWKOCB-UHFFFAOYSA-N